Ethylhexadecyldimethylammonium bromide - ≥98% , CAS No.124-03-8

CAS: 124-03-8 Cat. No.: E111745 분자식: C₂₀H₄₄BrN 분자량: 378.47 Beilstein Registry Number: 3729134 EC 번호: 204-672-8

GRADE & PURITY ≥98%

Synonyms

EHDAB | 1-Hexadecanaminium, N-ethyl-N,N-dimethyl-, bromide (1:1) | J-005027 | Cetethyldimonium bromide | Cetyldimethylethylammonium bromide | Ethylhexadecyldimethylammonium bromide, >=98% (non-aqueous titration) | CETYLDIMETHYLETHYLAMMONIUM BROMIDE [MI] |

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

Ethylhexadecyldimethylammonium bromide is a surfactant.

Specifications

동의어

EHDAB | 1-Hexadecanaminium, N-ethyl-N,N-dimethyl-, bromide (1:1) | J-005027 | Cetethyldimonium bromide | Cetyldimethylethylammonium bromide | Ethylhexadecyldimethylammonium bromide, >=98% (non-aqueous titration) | CETYLDIMETHYLETHYLAMMONIUM BROMIDE [MI] |

사양 및 순도

≥98%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 504753454
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753454
• 정식 스마일: CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]
• IUPAC Name: ethyl-hexadecyl-dimethylazanium;bromide
• InChIKey: VUFOSBDICLTFMS-UHFFFAOYSA-M
• INCHI: 1S/C20H44N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;/h5-20H2,1-4H3;1H/q+1;/p-1
• 이성체 SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]
• WGK 독일: 3
• RTECS: BQ5425000
• 분자량: 378.47
• Beilstein: 3729134
• Reaxy-Rn: 3729134
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3729134&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 분류 Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organopnictogen compounds Organic bromide salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Amine - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

OXTR Tclin Oxytocin receptor (1962 Activities)

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AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)

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GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

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HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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HepG2 (196354 Activities)

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POLH Tchem DNA polymerase eta (21678 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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SNCA Tchem Alpha-synuclein (10960 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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GMNN Tbio Geminin (128009 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 Activities)

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GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

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RAD52 Tchem DNA repair protein RAD52 homolog (856 Activities)

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관련 대상(비인간)

Streptococcus (3973 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Plasmodium falciparum (966862 Activities)

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Streptococcus sp. 'group A' (3417 Activities)

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Vero (26788 Activities)

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INS1 (2867 Activities)

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dnaB Replicative DNA helicase (15 Activities)

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ska Streptokinase A (5805 Activities)

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recA Protein RecA (2211 Activities)

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HSP90 (947 Activities)

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vpr Aberrant vpr protein (14595 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 발화점(°F): 93 °C
• 발화점(°C): 93°C
• 녹는점(°C): 190°C
• 분자량: 378.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 16
• Exact Mass: 377.266 Da
• Monoisotopic Mass: 377.266 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 198.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

참고 문헌

1. Lingyun Kong, Siyao Wang, Mingzhou Yang, Yi Peng, Songxiang Zhu, Chaojie Miao, Yuanyuan Deng, Bo Yang.  (2025)  The impact of hydrophilic groups on the demulsification and interfacial behavior of cetyltrimethylammonium emulsified asphalt.  CONSTRUCTION AND BUILDING MATERIALS,      [PMID:] [10.1016/j.conbuildmat.2025.144728]

2. Hao Liu, Yujie Lv, Jiawang Li, Le Kang, Menghui Chen, Langqun Tan, Xiaoshun Yao, Huipeng Wang, Minyue Zhang, Jianxiang Li, Jie Zhu, Chenggong Zhang, Jianyong Yu, Dequn Wu.  (2026)  Modular alginate-based hydrogels embedding multilayer nanofibers: A synergistic strategy for hemostasis, antibacterial, and immunomodulatory therapy.  CARBOHYDRATE POLYMERS,      [PMID:41713983] [10.1016/j.carbpol.2026.124977]